ITCMDBv1
IngredientID 2747

Tachioside

C13H18O8

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Herb: 9Ingredient: 1Target: 1Links: 10
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
2747
Core Entity Id
6240
Source Entity Count
1
Preferred Name
Tachioside
Name En
Pubchem Id
11962143
Smiles Canonical
COC1=C(C=CC(=C1)OC2C(C(C(C(O2)CO)O)O)O)O
Molecular Formula
C13H18O8
Molecular Weight
302.2790
Inchikey
KWVHACHAQJFTLZ-UJPOAAIJSA-N
Inchi
InChI=1S/C13H18O8/c1-19-8-4-6(2-3-7(8)15)20-13-12(18)11(17)10(16)9(5-14)21-13/h2-4,9-18H,5H2,1H3/t9-,10-,11+,12-,13-/m1/s1
Isomeric Smiles
COC1=C(C=CC(=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O
Cas Id
109194-60-7
Ob Score
20.9770
Mol Logp
-1.4205
Num H Donors
5
Num H Acceptors
8
Num Rotatable Bonds
4
Drug Likeness
0.4580
Polar Surface Area
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name
(2S,3R,4S,5S,6R)-2-(4-Hydroxy-3-Methoxyphenoxy)-6-(Hydroxymethyl)Oxane-3,4,5-Triol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Tachioside
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
(2S,3R,4S,5S,6R)-2-(4-Hydroxy-3-Methoxyphenoxy)-6-(Hydroxymethyl)Oxane-3,4,5-Triol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(2S,3R,4S,5S,6R)-2-(4-hydroxy-3-methoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(2S,3R,4S,5S,6R)-2-(4-hydroxy-3-methoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(2s,3r,4s,5s,6r)-2-(4-hydroxy-3-methoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(2s,3r,4s,5s,6r)-2-(4-hydroxy-3-methoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Tachioside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Tachioside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Tachioside
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
tachioside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(2S,3R,4S,5S,6R)-2-(4-Hydroxy-3-methoxyphenoxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2S,3R,4S,5S,6R)-2-(4-Hydroxy-3-methoxyphenoxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
Role
alias
Source
HERB_v2
Preferred
No
Name
(2S,3R,4S,5S,6R)-2-(4-hydroxy-3-methoxy-phenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
Role
alias
Source
TCMBank
Preferred
No
Name
(2S,3R,4S,5S,6R)-2-(4-hydroxy-3-methoxy-phenoxy)-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
Role
alias
Source
TCMBank
Preferred
No
Name
(2S,3R,4S,5S,6R)-2-(4-hydroxy-3-methoxy-phenoxy)-6-methylol-tetrahydropyran-3,4,5-triol
Role
alias
Source
TCMBank
Preferred
No
Name
(2S,3R,4S,5S,6R)-2-(4-hydroxy-3-methoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
Role
alias
Source
HERB_v2
Preferred
No
Name
(2S,3R,4S,5S,6R)-2-(4-hydroxy-3-methoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-O-(4-Hydroxy-3-methoxyphenyl)-beta-D-glucopyranose
Role
alias
Source
HERB_v2
Preferred
No
Name
1-O-(4-Hydroxy-3-methoxyphenyl)-beta-D-glucopyranose
Role
alias
Source
itcmdb_public
Preferred
No
Name
109194-60-7
Role
alias
Source
HERB_v2
Preferred
No
Name
109194-60-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS032948097
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS032948097
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL1077078
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL1077078
Role
alias
Source
HERB_v2
Preferred
No
Name
FS-10122
Role
alias
Source
itcmdb_public
Preferred
No
Name
FS-10122
Role
alias
Source
HERB_v2
Preferred
No
Name
HY-N1186
Role
alias
Source
itcmdb_public
Preferred
No
Name
HY-N1186
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL9576060
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL9576060
Role
alias
Source
HERB_v2
Preferred
No
Name
Tachioside
Role
alias
Source
HERB_v2
Preferred
No
Name
Tachioside
Role
alias
Source
itcmdb_public
Preferred
No

Aliases

Additional names normalized into the restored final schema.

(2S,3R,4S,5S,6R)-2-(4-Hydroxy-3-Methoxyphenoxy)-6-(Hydroxymethyl)Oxane-3,4,5-Triol(2S,3R,4S,5S,6R)-2-(4-Hydroxy-3-methoxyphenoxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol(2S,3R,4S,5S,6R)-2-(4-hydroxy-3-methoxy-phenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol(2S,3R,4S,5S,6R)-2-(4-hydroxy-3-methoxy-phenoxy)-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol(2S,3R,4S,5S,6R)-2-(4-hydroxy-3-methoxy-phenoxy)-6-methylol-tetrahydropyran-3,4,5-triol1-O-(4-Hydroxy-3-methoxyphenyl)-beta-D-glucopyranose109194-60-7AKOS032948097CHEMBL1077078FS-10122HY-N1186SCHEMBL9576060

Cross References

Trusted external identifiers retained for this final record.

Cas
109194-60-7
Herb
HBIN006665HBIN045370
Npass
NPC221090
Tcmid
32559
Tcmsp
MOL007386
Sym Map
SMIT08834SMIT26997
Pub Chem
1196214373154502
Tcmbank
TCMBANKIN006259TCMBANKIN036558
Etcm Ingredient
(2S,3R,4S,5S,6R)-2-(4-hydroxy-3-methoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
Itcmdb Generated
ITX-INGREDIENT-10D2C5BCE611ITX-INGREDIENT-68F9B4BDF951

Attributes

Merged source attributes and domain-specific metadata.

Type
Other ingredients
In Ch I
InChI=1S/C13H18O8/c1-19-8-4-6(2-3-7(8)15)20-13-12(18)11(17)10(16)9(5-14)21-13/h2-4,9-18H,5H2,1H3/t9-,10-,11+,12-,13-/m1/s1
Mol Wt
302.279
Cas Id
109194-60-7
Smiles
COC1=C(C=CC(=C1)OC2C(C(C(C(O2)CO)O)O)O)O
Mol Log P
-1.4205
Version
v1,v2v2
In Ch Ikey
KWVHACHAQJFTLZ-UJPOAAIJSA-N
Ob Score
20.97720.9773198420.97732
Suppress
0
Num Hdonors
5
Drug Likeness
0.458
Num Hacceptors
8
Isomeric Smiles
COC1=C(C=CC(=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O
Molecule Weight
302.31
Canonical Smiles
COC1=C(C=CC(=C1)OC2C(C(C(C(O2)CO)O)O)O)O
Herb Alias Names
Tachioside109194-60-71-O-(4-Hydroxy-3-methoxyphenyl)-beta-D-glucopyranose(2S,3R,4S,5S,6R)-2-(4-Hydroxy-3-methoxyphenoxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triolSCHEMBL9576060CHEMBL1077078HY-N1186AKOS032948097FS-10122
Molecular Weight
302.100
Molecular Weight
302.28302.28 g/mol
Molecular Formula
C13H18O8
Molecular Formula
C13H18O8
Molecular Formula
C13H18O8
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.005
Quantitative Estimate Of Drug Likeness（Qed）
0.458